3-methoxy-N-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-amine

C12H21N3O — CID 115320188

IUPAC3-methoxy-N-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-amine
SMILESCOC1CCCC(NCc2ccn(C)n2)C1
InChIInChI=1S/C12H21N3O/c1-15-7-6-11(14-15)9-13-10-4-3-5-12(8-10)16-2/h6-7,10,12-13H,3-5,8-9H2,1-2H3
InChIKeyMKAMFMSZCWVZEK-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.47
Rot. Bonds4

About 3-methoxy-N-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-amine

3-methoxy-N-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-amine (PubChem CID 115320188) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-methoxy-N-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-amine
PubChem CID115320188
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-methoxy-N-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-amine
SMILESCOC1CCCC(NCc2ccn(C)n2)C1
InChIInChI=1S/C12H21N3O/c1-15-7-6-11(14-15)9-13-10-4-3-5-12(8-10)16-2/h6-7,10,12-13H,3-5,8-9H2,1-2H3
InChIKeyMKAMFMSZCWVZEK-UHFFFAOYSA-N
XLogP1.47
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methoxy-N-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(oxan-2-yl)-1H-pyrazol-5-yl]methanamine
CID 75485677
N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-2-[(2R)-oxan-2-yl]ethanamine
CID 164639531
3-(difluoromethyl)-1-(4-methoxycyclohexyl)-N-methylpyrazol-4-amine
CID 162349089
N-[(2-methylpyrazol-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43748995
N-(1H-pyrazol-5-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43748997
N-methyl-7-[3-(trifluoromethyl)pyrazol-1-yl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 61757084
1-(oxolan-2-yl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine
CID 62565250
N-(oxolan-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine
CID 62566384
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 64798984
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 79568795
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 81867700
3-[(1-Cyclohexylpyrazol-3-yl)methylamino]-1,1,1-trifluoropropan-2-ol
CID 105645019

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 3-methoxy-N-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-amine (CID 115320188) is 3-methoxy-N-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3-methoxy-N-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 3-methoxy-N-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-amine is COC1CCCC(NCc2ccn(C)n2)C1.
What is the InChIKey of 3-methoxy-N-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-amine?
The InChIKey is MKAMFMSZCWVZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-15-7-6-11(14-15)9-13-10-4-3-5-12(8-10)16-2/h6-7,10,12-13H,3-5,8-9H2,1-2H3.
What are the key properties of 3-methoxy-N-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-amine?
3-methoxy-N-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 115320188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).